(phenylmethyl) N-[3-(7-methylsulfanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidanidylpyridin-1-ium-2-yl)carbamate

Systemtic Name: (phenylmethyl) N-[3-(7-methylsulfanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidanidylpyridin-1-ium-2-yl)carbamate Openeye Name: benzyl N-[3-(7-methylsulfanyl-3-oxo-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidopyridin-1-ium-2-yl)carbamate CAS Name: N-[3-[7-(methylthio)-3-oxo-1,4-benzoxazin-4-yl]propyl]-N-(1-oxido-2-pyridin-1-iumyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-(7-methylsulfanyl-3-oxo-1,4-benzoxazin-4-yl)propyl]-N-(1-oxidopyridin-1-ium-2-yl)carbamate Traditional Name: N-[3-[3-keto-7-(methylthio)-1,4-benzoxazin-4-yl]propyl]-N-(1-oxidopyridin-1-ium-2-yl)carbamic acid benzyl ester Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N(C(=O)CO2)CCCN(C3=CC=CC=[N+]3[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC2=C(C=C1)N(C(=O)CO2)CCCN(C3=CC=CC=[N+]3[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O5S/c1-34-20-11-12-21-22(16-20)32-18-24(29)26(21)13-7-14-27(23-10-5-6-15-28(23)31)25(30)33-17-19-8-3-2-4-9-19/h2-6,8-12,15-16H,7,13-14,17-18H2,1H3